8-fluoro-4-[3-(methylsulfanyl)phenyl]-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
Chemical Structure Depiction of
8-fluoro-4-[3-(methylsulfanyl)phenyl]-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
8-fluoro-4-[3-(methylsulfanyl)phenyl]-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
Compound characteristics
Compound ID: | L807-0618 |
Compound Name: | 8-fluoro-4-[3-(methylsulfanyl)phenyl]-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile |
Molecular Weight: | 346.4 |
Molecular Formula: | C16 H11 F N2 O2 S2 |
Smiles: | CSc1cccc(c1)N1C=C(C#N)S(c2c1cccc2F)(=O)=O |
Stereo: | ACHIRAL |
logP: | 2.4783 |
logD: | 2.4783 |
logSw: | -2.7823 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 48.007 |
InChI Key: | UXDCNXUHZGMUHU-UHFFFAOYSA-N |